UCSF

ZINC21792367

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.83 3.56 -11.98 3 4 0 72 296.779 3
Hi High (pH 8-9.5) 2.83 3.63 -47.35 2 4 -1 74 295.771 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )